Search results for " function"
showing 10 items of 9395 documents
Gas sensors arrays (electronic noses) : a study about the speed/accuracy ratio
2000
Abstract New Fingerprint Mass Spectra (FMS) systems claim for a higher precision, a reduced analysis time, and a lower drift, compared with Gas Sensors Arrays ‘Electronic Noses’. We demonstrated in this study that metal oxide gas sensors may have highly improved performances for both accuracy and run time, when used in optimum conditions. The different noise components were quantified referring to popular words (equivalent of ethanol concentration) using the transfer function of the sensor. It was pointed out that sample surrounding greatly affects the noise level, and that the signal-to-noise ratio may be dramatically increased, reducing the distortion generally assessed between sensor and…
Excitons in few-layer hexagonal boron nitride: Davydov splitting and surface localization
2018
Hexagonal boron nitride (hBN) has been attracting great attention because of its strong excitonic effects. Taking into account few-layer systems, we investigate theoretically the effects of the number of layers on quasiparticle energies, absorption spectra, and excitonic states, placing particular focus on the Davydov splitting of the lowest bound excitons. We describe how the inter-layer interaction as well as the variation in electronic screening as a function of layer number $N$ affects the electronic and optical properties. Using both \textit{ab initio} simulations and a tight-binding model for an effective Hamiltonian describing the excitons, we characterize in detail the symmetry of t…
Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study
2018
International audience; The adsorption of cis and trans 2-butenes on Pt(111) has been studied as a function of hydrogen coverage OH by means of calculations based on density functional theory (DFT) with the inclusion of dispersion forces. All hydrogen coverages have been considered, from 0 to 1.00 monolayer (ML). For each case, the di-sigma and pi adsorption geometries of the olefins have been compared at a surface coverage of theta(C4H8) = 0.11 ML. Calculations of the Gibbs free energies of these systems have identified the most stable 2-butene isomer (cis or trans) as a function of coverage, temperature, and pressure. In particular, focus was placed on two sets of conditions, namely, one …
A critical size for emergence of nonbulk electronic and geometric structures in dodecanethiolate-protected Au clusters.
2014
We report on how the transition from the bulk structure to the cluster-specific structure occurs in n-dodecanethiolate-protected gold clusters, Au(n)(SC12)m. To elucidate this transition, we isolated a series of Au(n)(SC12)m in the n range from 38 to ∼520, containing five newly identified or newly isolated clusters, Au104(SC12)45, Au(∼226)(SC12)(∼76), Au(∼253)(SC12)(∼90), Au(∼356)(SC12)(∼112), and Au(∼520)(SC12)(∼130), using reverse-phase high-performance liquid chromatography. Low-temperature optical absorption spectroscopy, powder X-ray diffractometry, and density functional theory (DFT) calculations revealed that the Au cores of Au144(SC12)60 and smaller clusters have molecular-like elec…
Depth-of-Field of the Accommodating Eye
2014
Our eyes project information from a three-dimensional world to a basically two-dimensional surface, corresponding to the photoreceptor plane in the retina. In theory, only one plane or surface of world can be in focus at one time. However, the eye exhibits a certain tolerance to out-of-focus images, a feature that is known as depth-of-focus (DOF). The corresponding distance range in which the objects are seen “clearly” is known as depth-of-field (DOFi). Although DOF and DOFi refer to an interval of distances or a dioptric range in the image and object space, respectively, both parameters define a similar concept and are usually interchangeable. This article will mainly refer to DOFi because…
DFT calculations of structures, 13C NMR chemical shifts, and Raman RBM mode of simple models of small‐diameter zigzag (4,0) carboxylated single‐walle…
2012
Linearly conjugated benzene rings (acenes), belt‐shaped molecules (cyclic acenes), and models of single‐walled carbon nanotubes (SWCNTs) with one carboxylic group at the open end were fully optimized at the B3LYP/6‐31G* level of theory. These models were selected to obtain some insight into the nuclear isotropic changes resulting from systematically increasing the basic building units of open‐tip‐monocarboxylated SWCNTs. In addition, the position of radial breathing mode (RBM), empirically correlated with the SWCNT diameter, was directly related with the radius of model cyclic acene rings. A regular convergence of selected structural, NMR, and Raman parameters with the molecular system size…
Influence of the symptoms of Attention Deficit Hyperactivity Disorder (ADHD) and comorbid disorders on functioning in adulthood
2014
Antecedentes: el TDAH es un trastorno crónico que afecta la adaptación sociopersonal. Los objetivos de este estudio fueron comprobar el funcionamiento adaptativo de adultos con TDAH en comparación a adultos sin el trastorno y analizar la influencia de la inatención e hiperactividad/impulsividad y de los trastornos comórbidos en este funcionamiento. Método: la muestra incluyó 77 adultos entre 17 y 24 años, 40 con un diagnóstico de TDAH subtipo combinado y 37 controles que cumplimentaron el Weiss Functional Impairment Scale, el Weiss Symptom Record y el Conners' Adult ADHD Rating Scale. Resultados: se encontraron diferencias significativas entre adultos con y sin TDAH en el funcionamiento fam…
Is timing everything? : a longitudinal perspective on adult transitions, their antecedents, and psychological implications
2012
Associations of Cardiorespiratory Fitness and Adiposity With Arterial Stiffness and Arterial Dilatation Capacity in Response to a Bout of Exercise in…
2019
Purpose: To investigate the associations of directly measured peak oxygen uptake (V˙O2peak) and body fat percentage (BF%) with arterial stiffness and arterial dilatation capacity in children. Methods: Findings are based on 329 children (177 boys and 152 girls) aged 8–11 years. V˙O2peak was assessed by a maximal cardiopulmonary exercise test on a cycle ergometer and scaled by lean body mass (LM). BF% and LM were measured by bioelectrical impedance. Stiffness index (measure of arterial stiffness) and change in reflection index (ΔRI, measure of arterial dilatation capacity) were assessed by pulse contour analysis. Data were analyzed by linear regression models. Results: VO2peak/LM was positive…